SCHEMBL9636227

SCHEMBL9636227

CC=COCCOC(=O)c1ccc(CC(c2ccc(C(=O)OCCOC=CC)cc2)c2ccc(C(=O)OCCOC=CC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
ESR2 Q92731 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 4/20 0.38
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
KDR P35968 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP2D6 P10635 1/20 0.35
NR1H2 P55055 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9636210 0.84 ESR1 (0.41) ESR1ESR2SMN1; SMN2NPC1RAB9A
SCHEMBL9636221 0.76 CYP4F2 (0.40) ESR1ESR2MAPTLMNATSHR
SCHEMBL9635109 0.76 PPARG (0.36) LMNACYP1A2CYP2C19CYP2D6PPARG
SCHEMBL9635130 0.75 TSHR (0.41) ESR1ESR2SMN1; SMN2NPC1RAB9A
SCHEMBL26246442 0.69 SCN1A (0.48) ESR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11609595 0.67 LMNA (0.62) ESR1ESR2SMN1; SMN2NPC1RAB9A
SCHEMBL27993246 0.67 TDP1 (0.59) ESR1ESR2SMN1; SMN2NPC1RAB9A
SCHEMBL28389614 0.66 LMNA (0.51) SMN1; SMN2NPC1RAB9ALMNATSHR
SCHEMBL22965811 0.65 CYP4F2 (0.49) ESR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL25812489 0.65 ALDH1A1 (0.62) ESR1SMN1; SMN2NPC1RAB9AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102966-A Addition polymerization of unsaturated ethers using an unsaturated alkenyl polyether adduct as initiator and a cation-donating compound SEKISUI CHEMICAL CO., LTD. (JP) 1992-04-07 US disclosed